Sn4Te2Br3
Alexandria ALEXAlex-ID: agm005692334 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
SnTe Sn SnBr2
2023-06-26 19:03:00.163046
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692334).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005692334
data_agm005692334
_cell_length_a 4.66541
_cell_length_b 4.66541
_cell_length_c 17.63167
_cell_angle_alpha 93.93703
_cell_angle_beta 86.06297
_cell_angle_gamma 125.42390
_cell_volume 311.79527
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sn1 Sn 0.33076 0.66924 0.89069 1.00000
Sn2 Sn 0.00372 0.99628 0.31517 1.00000
Sn3 Sn 0.99628 0.00372 0.68483 1.00000
Sn4 Sn 0.66924 0.33076 0.10931 1.00000
Te1 Te 0.65932 0.34068 0.79340 1.00000
Te2 Te 0.34068 0.65932 0.20660 1.00000
Br1 Br 0.67239 0.32760 0.40190 1.00000
Br2 Br 0.00000 0.00000 0.00000 1.00000
Br3 Br 0.32761 0.67240 0.59810 1.00000
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